SCHEMBL5758636

SCHEMBL5758636

CCOC(Cc1ccc(F)cc1)OCC

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.47
LMNA P02545 1/20 0.41
IDO1 P14902 3/20 0.40
AGXT P21549 2/20 0.40
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
LOXL2 Q9Y4K0 1/20 0.39
PPARA Q07869 4/20 0.39
PPARG P37231 3/20 0.39
PPARD Q03181 2/20 0.39
EPHX2 P34913 1/20 0.39
TDP1 Q9NUW8 2/20 0.38
POLB P06746 1/20 0.38
APEX1 P27695 1/20 0.38
TAAR1 Q96RJ0 3/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13516238 0.78 PPARA (0.42) IDO1PPARAPPARGPPARDTAAR1
SCHEMBL5710979 0.78 TAAR1 (0.52) IDO1PPARATAAR1
SCHEMBL113325 0.77 TAAR1 (0.48) TRPA1MAOAPPARAPPARGPPARD
SCHEMBL9718322 0.77 TRPA1 (0.50) TRPA1LMNAIDO1AGXTMAOA
SCHEMBL5761123 0.76 IDO1 (0.47) IDO1AGXTMAOBPPARAPPARG
SCHEMBL24328379 0.76 PPARA (0.66) PPARAPPARGPPARD
SCHEMBL5077193 0.74 SLC6A4 (0.42) MAOAMAOB
SCHEMBL2329756 0.74 CYP1A2 (0.47) MAOBTDP1
SCHEMBL5074299 0.74 SLC6A4 (0.38) MAOAMAOB
SCHEMBL13636136 0.74 FFAR1 (0.30) PPARAPPARG

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7144898-B2 Indole derivatives for the treatment of depression and anxiety ELI LILLY AND COMPANY (US) 2006-12-05 US disclosed
EP-1242411-B1 INDOLE DERIVATIVES FOR THE TREATMENT OF DEPRESSION AND ANXIETY LILLY CO ELI (US) 2006-03-08 EP disclosed
US-20040006229-A1 Indole derivatives for the treatment of depression and anxiety ELI LILLY AND COMPANY 2004-01-08 US disclosed
EP-1242411-A1 INDOLE DERIVATIVES FOR THE TREATMENT OF DEPRESSION AND ANXIETY ELI LILLY AND COMPANY (US) 2002-09-25 EP disclosed
WO-2001046181-A1 INDOLE DERIVATIVES FOR THE TREATMENT OF DEPRESSION AND ANXIETY ELI LILLY AND COMPANY (US) 2001-06-28 WO disclosed
EP-0403841-B1 PROCESS FOR THE PRODUCTION OF ARYLACETALDEHYDE-DIALKYLACETALS HÜLS AKTIENGESELLSCHAFT (DE) 1993-08-04 EP disclosed
US-5202500-A Hydroformylation of halomethyl aromatics in presence of metal carbonyl catalyst, acid acceptor, orthoester HUELS AKTIENGESELLSCHAFT (DE) 1993-04-13 US disclosed
US-5068248-A Analgesics, antipyretics and antiinflammatory agents MERCK & CO., INC. (US) 1991-11-26 US disclosed
EP-0160408-B1 BENZOTHIOPHENES, THEIR PRODUCTION AND USE, AND COMPOSITIONS CONTAINING THEM MERCK & CO. INC. (US) 1989-08-23 EP disclosed
US-4760086-A N-alkenyl-3-hydroxybenzo[b]thiophene-2-carboxamide derivatives as dual cyclooxygenase and lipoxygenase inhibitors MERCK & CO., INC. (US) 1988-07-26 US disclosed
EP-0160408-A1 Benzothiophenes, their production and use, and compositions containing them MERCK & CO. INC. (US) 1985-11-06 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040006229-A1 Indole derivatives for the treatment of depression and anxiety IDO1, TPH1, IDO2 TRPA1 1805/4885LMNA 3706/4885IDO1 1/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.